AG007H71

34844-48-9 | 1,1,1-Trifluoro-2-trifluoromethyl-2,4-pentanediol

AG007H71

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CAS Number	34844-48-9
Catalog Number	AG007H71(AGN-PC-0JLLOO)
Chemical Name	1,1,1-Trifluoro-2-trifluoromethyl-2,4-pentanediol
IUPAC Name	1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol
InChI	InChI=1S/C6H8F6O2/c1-3(13)2-4(14,5(7,8)9)6(10,11)12/h3,13-14H,2H2,1H3
InChI Key	QAJCOMPEAMJMEB-UHFFFAOYSA-N
MDL Number	MFCD01709321
Molecular Formula	C6H8F6O2
Molecular Weight	226.1169
NSC Number	659256
SMILES	CC(O)CC(O)(C(F)(F)F)C(F)(F)F
Synonyms	34844-48-9, 1,1,1-Trifluoro-2-trifluoromethyl-2,4-pentanediol, 1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol, 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol, NSC659256, BRN 2244860, 1,1,1-Trifluoro-2-trifluoromethylpentane-2,4-diol, 2,4-Pentanediol, 1,1,1-trifluoro-2-(trifluoromethyl)-, AC1L3MEW, AC1Q4IGJ, SCHEMBL878767, CHEMBL1983253, CTK1C3134, QAJCOMPEAMJMEB-UHFFFAOYSA-N, MFCD01709321, AKOS022193588, GS-0005, NSC-659256, KS-0000107R, NCI60_020917, LS-101671, FT-0705607, 1,1,1-trifluoro-2 -trifluoromethyl-2,4-pentanediol, 5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-ol, C6H8F6O2, KST-1B3550, C6-H8-F6-O2, AR-1B3833, CID118191, 3593-85-9,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.043g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	226.118g/mol
Monoisotopic Mass	226.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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